CAS 661489-23-2

Chemistry, 1 End Use API, 5 Related Intermediates

Manufacturers/Suppliers

1 Suppliers

1 Suppliers

Also known as: 661489-23-2, (e)-3-(4-amino-3,5-dimethylphenyl)acrylonitrile hcl, (e)-3-(4-amino-3,5-dimethylphenyl)prop-2-enenitrile;hydrochloride, (e)-3-(4-amino-3,5-dimethylphenyl)-2-propenenitrile hydrochloride, Schembl12492574, Schembl12492576

Molecular Formula

C₁₁H₁₃ClN₂

Molecular Weight

208.69 g/mol

InChI Key

DHBOHGCHPDMVOD-BJILWQEISA-N

1 2D Structure

CAS 661489-23-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(E)-3-(4-amino-3,5-dimethylphenyl)prop-2-enenitrile;hydrochloride

2.1.2 InChI

InChI=1S/C11H12N2.ClH/c1-8-6-10(4-3-5-12)7-9(2)11(8)13;/h3-4,6-7H,13H2,1-2H3;1H/b4-3+;

2.1.3 InChI Key

DHBOHGCHPDMVOD-BJILWQEISA-N

2.1.4 Canonical SMILES

CC1=CC(=CC(=C1N)C)C=CC#N.Cl

2.1.5 Isomeric SMILES

CC1=CC(=CC(=C1N)C)/C=C/C#N.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 661489-23-2

2. (e)-3-(4-amino-3,5-dimethylphenyl)acrylonitrile Hcl

3. (e)-3-(4-amino-3,5-dimethylphenyl)prop-2-enenitrile;hydrochloride

4. (e)-3-(4-amino-3,5-dimethylphenyl)-2-propenenitrile Hydrochloride

5. Schembl12492574

6. Schembl12492576

7. Dtxsid50738205

8. (e)-3-(4-amino-3,5-dimethylphenyl)acrylonitrilehydrochloride

9. Bcp12734

10. (2e)-3-(4-amino-3,5-dimethylphenyl)-2-propenenitrile Hydrochloride

11. Mfcd18711816

12. Akos016008808

13. Ds-4603

14. Cs-0153727

15. A867517

16. J-501907

17. (2e)-3-(4-amino-3,5-dimethylphenyl)prop-2-enenitrile Hydrochloride

18. (2e)-3-(4-amino-3,5-dimethylphenyl)prop-2-enenitrile--hydrogen Chloride (1/1)

2.3 Create Date

2012-11-30

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₃ClN₂
Molecular Weight	208.69 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	208.0767261 g/mol
Monoisotopic Mass	208.0767261 g/mol
Topological Polar Surface Area	49.8 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	224
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

List of Suppliers

Full Screen View

Reset Filter

Ask Us

Octane Laboratories

Upload your Marketing & Sales content on your company Virtual Booth, click HERE

Post an Enquiry

India

Virtual Booth

Digital Content

Rilpivirine

PDF Supplier PDF

URL Supplier Web Content

CAS Number

661489-23-2

Intermediate Name

(E)-3-(4-Amino-3,5-Dimethylphenyl)A...

About the Company

OctaneX Labs is a leading intermediates and Active Pharmaceutical Ingredients (API) manufacturing company...

OctaneX Labs is a leading intermediates and Active Pharmaceutical Ingredients (API) manufacturing company specializing in the development of innovative processes for the synthesis of a wide range of products. We also undertake custom pharmaceutical services and contract Research Synthesis. We are commited to create better quality of life by being at the forefront of research, manufacturing and marketing of high quality API'S.As a growing organization, we are aware that we can’t achieve our goals singly. We collaborate and work in unison with a large number of reputed and like-minded partners

ASK
US